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WPT

Summary
Name:3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid
Formula:C22 H21 N O3
Formal charge:0
Formula weight:347.407 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid
OpenEye OEToolkits2.0.73-[4-[(3-phenoxyphenyl)methylamino]phenyl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CCc1ccc(cc1)NCc1cc(Oc2ccccc2)ccc1
InChIInChI1.06InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
InChIKeyInChI1.06DGENZVKCTGIDRZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
SMILESCACTVS3.385OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)Oc2cccc(c2)CNc3ccc(cc3)CCC(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)Oc2cccc(c2)CNc3ccc(cc3)CCC(=O)O

222415

數據於2024-07-10公開中

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